Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P27708
UPID:
PYR1_HUMAN
Alternative names:
-
Alternative UPACC:
P27708; D6W552; Q6P0Q0; Q96CK3
Background:
The CAD protein, encoded by the gene with accession number P27708, is a multifunctional enzyme pivotal in the pyrimidine biosynthesis pathway. It uniquely harbors four enzymatic activities: GATase, CPSase, ATCase, and DHOase, making it a cornerstone in nucleotide metabolism.
Therapeutic significance:
Developmental and epileptic encephalopathy 50 (DEE50) is a severe condition linked to mutations affecting the CAD protein. This disease underscores the protein's critical role in neurological development and function, presenting a promising target for therapeutic intervention with oral uridine.